苄丙酮
TL;DR: 苄丙酮 (CAS 2550-26-7) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄丙酮
4-phenylbutan-2-one
Also Known As: BENZYLACETONE, 4-Phenylbutan-2-one, 4-Phenyl-2-butanone, 4-Penylbutan-2-one, Benzyl acetone
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 2550-26-7 |
|---|---|
| SMILES | CC(=O)CCC1=CC=CC=C1 |
| InChIKey | AKGGYBADQZYZPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄丙酮 (CAS 2550-26-7), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 4-phenylbutan-2-one.
Chemical Property Profile of 苄丙酮
Property Insights of 苄丙酮
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 苄丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄丙酮 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苄丙酮?
The CAS number of 苄丙酮 is 2550-26-7.
What is the molecular formula of 苄丙酮?
The molecular formula of 苄丙酮 is C10H12O.
What is the molecular weight of 苄丙酮?
The molecular weight of 苄丙酮 is 148.09 g/mol.
Where can I buy 苄丙酮?
You can request a quote for 苄丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄丙酮?
Yes, KEHONG BIO provides custom synthesis services for 苄丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.